5-(4,4-difluorocyclohexyl)-4-ethyl-1,2,4-triazole-3-sulfonamide

C10H16F2N4O2S — CID 113366410

IUPAC5-(4,4-difluorocyclohexyl)-4-ethyl-1,2,4-triazole-3-sulfonamide
SMILESCCn1c(C2CCC(F)(F)CC2)nnc1S(N)(=O)=O
InChIInChI=1S/C10H16F2N4O2S/c1-2-16-8(14-15-9(16)19(13,17)18)7-3-5-10(11,12)6-4-7/h7H,2-6H2,1H3,(H2,13,17,18)
InChIKeyAQUPUVZIWQTDGI-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.24
Rot. Bonds3

About 5-(4,4-difluorocyclohexyl)-4-ethyl-1,2,4-triazole-3-sulfonamide

5-(4,4-difluorocyclohexyl)-4-ethyl-1,2,4-triazole-3-sulfonamide (PubChem CID 113366410) has the molecular formula C10H16F2N4O2S and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-(4,4-difluorocyclohexyl)-4-ethyl-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name5-(4,4-difluorocyclohexyl)-4-ethyl-1,2,4-triazole-3-sulfonamide
PubChem CID113366410
Molecular FormulaC10H16F2N4O2S
Molecular Weight294.33 g/mol
Exact Mass294.10
IUPAC Name5-(4,4-difluorocyclohexyl)-4-ethyl-1,2,4-triazole-3-sulfonamide
SMILESCCn1c(C2CCC(F)(F)CC2)nnc1S(N)(=O)=O
InChIInChI=1S/C10H16F2N4O2S/c1-2-16-8(14-15-9(16)19(13,17)18)7-3-5-10(11,12)6-4-7/h7H,2-6H2,1H3,(H2,13,17,18)
InChIKeyAQUPUVZIWQTDGI-UHFFFAOYSA-N
XLogP1.24
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluorocyclohexyl)-4-ethyl-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 5-(4,4-difluorocyclohexyl)-4-ethyl-1,2,4-triazole-3-sulfonamide (CID 113366410) is 5-(4,4-difluorocyclohexyl)-4-ethyl-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 5-(4,4-difluorocyclohexyl)-4-ethyl-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 5-(4,4-difluorocyclohexyl)-4-ethyl-1,2,4-triazole-3-sulfonamide is CCn1c(C2CCC(F)(F)CC2)nnc1S(N)(=O)=O.
What is the InChIKey of 5-(4,4-difluorocyclohexyl)-4-ethyl-1,2,4-triazole-3-sulfonamide?
The InChIKey is AQUPUVZIWQTDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O2S/c1-2-16-8(14-15-9(16)19(13,17)18)7-3-5-10(11,12)6-4-7/h7H,2-6H2,1H3,(H2,13,17,18).
What are the key properties of 5-(4,4-difluorocyclohexyl)-4-ethyl-1,2,4-triazole-3-sulfonamide?
5-(4,4-difluorocyclohexyl)-4-ethyl-1,2,4-triazole-3-sulfonamide has a molecular weight of 294.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluorocyclohexyl)-4-ethyl-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 113366410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).